Quantum Chemistry Researcher

Software & AlgorithmsFull TimeToronto, ON

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At Xanadu, we are learners, innovators, researchers, collaborators, and problem solvers. We are creating something that has never been built before. What we are doing is extremely hard, the classic moon shot. Few people in their life will be able to be a part of something like this, where if we are successful, the technologies we develop will solve some of the world’s most challenging problems, and literally change the world. That is something to be excited about!

Your Role and Responsibilities

As a Quantum Chemistry Researcher, you will work in collaboration with our research team and software developers. Your main role will be to use your expertise in theoretical chemistry and scientific programming to grow Xanadu’s reputation as a world leader in quantum computing and quantum chemistry. This will include discovering new quantum chemistry algorithms for near-term devices, implementing related functionalities as part of Xanadu's software libraries, and publishing the results in prestigious journals. You will also work on problems of real-world impact in collaboration with our partners and customers.

Throughout your work, you will showcase analytical skills, a commitment to quality, and a collaborative work ethic. You will also demonstrate leadership, technical curiosity, and creativity.

Qualifications and experience

  • PhD in quantum chemistry/quantum computing, or equivalent practical experience
  • Track record of research accomplishment at the intersection of quantum chemistry and quantum computing, demonstrated by your peer-reviewed publications and presentations
  • Solid experience with standard quantum chemistry software packages, such as Gaussian, Q-Chem, ORCA, PySCF, PSI4, NWChem, and VASP
  • Strong grasp of fundamental concepts in electronic structure theory such as DFT, CC, and CI
  • Proficiency in fundamental quantum computing concepts such as quantum algorithms, hardware implementations, error-correction, and variational circuits
  • Experience with Unix/Linux and HPC environments and strong programming skills, preferably in Python
  • Experience with quantum software libraries, preferably PennyLane and Strawberry Fields
  • Able to conduct research in an interdisciplinary team environment, as well as independently
  • Ability to work effectively in a team environment 
  • Ability to communicate technical concepts clearly and effectively
  • Ability to manage individual project priorities, deadlines, and deliverables


To build quantum computers that are useful and available to people everywhere. Learn more about our mission here


Our values are everything. They are fundamental and lay the foundation for culture at Xanadu. Learn more about our values here

At Xanadu, we are committed to building an inclusive, safe, and equitable culture and fostering an environment where our employees feel included, valued, and heard. We are committed to meeting the needs of all individuals and support a barrier-free workplace. Should you require accommodations at any point during the recruitment process please contact Human Resources at hr@xanadu.ai.